SCHEMBL2221340

SCHEMBL2221340

CC(C)c1ccnc(N2CCN(Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CXCR4 P61073 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.36
HTT P42858 3/20 0.36
CCR5 P51681 2/20 0.35
OGA O60502 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14632833 0.93 ALDH1A1 (0.39) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2222801 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRDRD2DRD4
SCHEMBL2221587 0.89 HTR3E (0.42) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2223695 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRDRD2DRD4
SCHEMBL14632831 0.85 MEN1 (0.41) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL14632768 0.84 CA2 (0.39) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2222049 0.84 HTR3E (0.38) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2223657 0.84 MEN1 (0.41) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL15656473 0.82 KDM4E (0.49) ALDH1A1KDM4EHTTCCR5SMN1; SMN2
SCHEMBL15656299 0.82 HRH3 (0.40) ALDH1A1KDM4ETSHRMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP claimed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US claimed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US claimed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO claimed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B ALDH1A1 2656/4885KDM4E 3172/4885CYP1A2 1524/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 ALDH1A1 2495/4885KDM4E 3267/4885CYP1A2 1621/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.